SCHEMBL9726258

SCHEMBL9726258

CCCCOC(=O)c1ccc(S(=O)(=O)O)c(OC(=O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
STS P08842 7/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 3/20 0.49
ESR1 P03372 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
MAPK1 P28482 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
PDE4D Q08499 1/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9732675 0.89 POLB (0.47) POLBSTSLMNATSHRESR1
SCHEMBL9726257 0.88 TSHR (0.54) POLBSTSLMNATSHRESR1
SCHEMBL9726266 0.83 ALDH1A1 (0.54) STSLMNATSHRESR1CYP1A2
SCHEMBL6763979 0.80 LMNA (0.56) LMNATSHRESR1CYP1A2CYP2C19
SCHEMBL9726277 0.80 LMNA (0.56) POLBSTSLMNATSHRESR1
SCHEMBL9726267 0.79 PRKCA (0.44) LMNATSHRSMN1; SMN2CYP3A4TDP1
SCHEMBL97514 0.78 LMNA (0.79) STSLMNATSHRESR1CYP1A2
SCHEMBL28978386 0.78 LMNA (0.79) STSLMNATSHRESR1CYP1A2
SCHEMBL1869078 0.78 LMNA (0.79) STSLMNATSHRESR1CYP1A2
SCHEMBL22462710 0.77 MAPT (0.67) STSLMNATSHRESR1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5078907-A UNSYMMETRICAL DICARBOXYLIC ESTERS AS BLEACH PRECURSORS LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1992-01-07 US disclosed